SCHEMBL20148197

SCHEMBL20148197

CCCON1CCN(c2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
HRH3 Q9Y5N1 11/20 0.48
SMO Q99835 1/20 0.47
PARP1 P09874 1/20 0.46
AOC3 Q16853 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
UBE2T Q9NPD8 1/20 0.44
KDM1A O60341 1/20 0.43
P2RY12 Q9H244 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20148198 0.83 HDAC3 (0.44) HRH3PARP1AOC3NPC1RAB9A
SCHEMBL20148201 0.82 HRH3 (0.47) HRH3PARP1AOC3
SCHEMBL20148196 0.81 HRH3 (0.58) OPRM1OPRK1HRH3PARP1KDM1A
SCHEMBL2828056 0.80 OPRM1 (0.60) OPRM1OPRK1HRH3SMOPARP1
SCHEMBL4460927 0.78 RAB9A (0.56) OPRM1OPRK1HRH3SMOPARP1
SCHEMBL30754039 0.78 HRH3 (0.56) OPRM1OPRK1HRH3SMOPARP1
Hydrochloric Acid SCHEMBL5009801 0.77 RAB9A (0.55) OPRM1OPRK1HRH3SMOPARP1
SCHEMBL30753988 0.76 HRH3 (0.70) OPRM1OPRK1HRH3SMOPARP1
SCHEMBL29475033 0.76 UBE2T (0.71) OPRM1OPRK1HRH3SMOPARP1
SCHEMBL30289763 0.76 UBE2T (0.71) OPRM1OPRK1HRH3SMOPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 OPRM1 4521/4885OPRK1 3162/4885HRH3 3405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.